N-(3-butoxypropyl)cyclopropanamine

C10H21NO — CID 62450977

IUPACN-(3-butoxypropyl)cyclopropanamine
SMILESCCCCOCCCNC1CC1
InChIInChI=1S/C10H21NO/c1-2-3-8-12-9-4-7-11-10-5-6-10/h10-11H,2-9H2,1H3
InChIKeyRNEBCYPTRHJNTO-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds8

About N-(3-butoxypropyl)cyclopropanamine

N-(3-butoxypropyl)cyclopropanamine (PubChem CID 62450977) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(3-butoxypropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-butoxypropyl)cyclopropanamine
PubChem CID62450977
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(3-butoxypropyl)cyclopropanamine
SMILESCCCCOCCCNC1CC1
InChIInChI=1S/C10H21NO/c1-2-3-8-12-9-4-7-11-10-5-6-10/h10-11H,2-9H2,1H3
InChIKeyRNEBCYPTRHJNTO-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-butoxypropylamino)cyclohexan-1-ol
CID 106595163
N-(3-butoxypropyl)piperidin-4-amine
CID 20735437
N-[3-(2-ethoxyethoxy)propyl]cyclopropanamine
CID 62445452
N-[4-(2-propoxyethoxy)butyl]cyclopropanamine
CID 63686428
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
N-(3-butoxypropyl)spiro[4.5]decan-8-amine
CID 114817917
N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine
CID 55195526
N'-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104563816
N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091022
N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
CID 112587431
N-butyl-N'-cyclopropylpropane-1,3-diamine
CID 61149641
N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine
CID 28718710

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)cyclopropanamine?
The IUPAC name of N-(3-butoxypropyl)cyclopropanamine (CID 62450977) is N-(3-butoxypropyl)cyclopropanamine.
What is the SMILES notation for N-(3-butoxypropyl)cyclopropanamine?
The canonical SMILES for N-(3-butoxypropyl)cyclopropanamine is CCCCOCCCNC1CC1.
What is the InChIKey of N-(3-butoxypropyl)cyclopropanamine?
The InChIKey is RNEBCYPTRHJNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-8-12-9-4-7-11-10-5-6-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(3-butoxypropyl)cyclopropanamine?
N-(3-butoxypropyl)cyclopropanamine has a molecular weight of 171.28 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)cyclopropanamine is sourced from PubChem (CID 62450977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).